Information card for entry 7706711

Structure parameters

• Formula: C46 H41 B Br2 Mn N4 O2
• Calculated formula: C46 H41 B Br2 Mn N4 O2
• Title of publication: Effect of ligand substituents and tuning the spin-state switching in manganese(iii) complexes.
• Authors of publication: Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mondal, Abhishake
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 13
• Pages of publication: 4634 - 4642
• a: 14.2943 ± 0.0011 Å
• b: 21.858 ± 0.0017 Å
• c: 14.4084 ± 0.0012 Å
• α: 90°
• β: 116.226 ± 0.003°
• γ: 90°
• Cell volume: 4038.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2012
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No